(2-chloro-3,4-dimethoxyphenyl)methanol

• ChemBase ID: 79486
• Molecular Formular: C9H11ClO3
• Molecular Mass: 202.63484
• Monoisotopic Mass: 202.03967189
• SMILES: Clc1c(c(ccc1CO)OC)OC
• Canonical SMILES: COc1c(OC)ccc(c1Cl)CO
• InChI: InChI=1S/C9H11ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4,11H,5H2,1-2H3
• InChIKey: ZXYBQLFOEYWYBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-3,4-dimethoxyphenyl)methanol
• IUPAC Traditional name: (2-chloro-3,4-dimethoxyphenyl)methanol
• Synonyms: (2-chloro-3,4-dimethoxyphenyl)methanol; 2-Chloroveratryl alcohol; 2-Chloro-3,4-dimethoxybenzyl alcohol; 2-氯-3,4-二甲氧基苯甲醇

Database IDs

• CAS Number: 93983-13-2
• MDL Number: MFCD00210141
• PubChem SID: 162044249
• PubChem CID: 2775134

CALCULATED PROPERTIES

• Acid pKa: 14.697715
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4945982
• LogD (pH = 7.4): 1.4945982
• Log P: 1.4945982
• Molar Refractivity: 50.6051 cm^3
• Polarizability: 19.763857 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-72°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%